3-butyl-7-methyl-6-sulfanylidene-purin-2-one

Systemtic Name: 3-butyl-7-methyl-6-sulfanylidene-purin-2-one Openeye Name: 3-butyl-7-methyl-6-thioxo-purin-2-one CAS Name: 3-butyl-7-methyl-6-sulfanylidene-2-purinone IUPAC Name: 3-butyl-7-methyl-6-sulfanylidenepurin-2-one Traditional Name: 3-butyl-7-methyl-6-thioxo-purin-2-one Formula: C10H14N4OS MolecularWeight: 238.30936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=S)NC1=O)N(C=N2)C

Isomeric SMILES

CCCCN1C2=C(C(=S)NC1=O)N(C=N2)C

InChI

InChI=1S/C10H14N4OS/c1-3-4-5-14-8-7(13(2)6-11-8)9(16)12-10(14)15/h6H,3-5H2,1-2H3,(H,12,15,16)